Development of a New Group Contribution Method Based on GCVOL Model for the Estimation of Pure Ionic Liquid Density over a Wide Range of Temperature and Pressure

2014 ◽  
Vol 53 (22) ◽  
pp. 9506-9512 ◽  
Author(s):  
Nathan S. Evangelista ◽  
Frederico R. do Carmo ◽  
Rílvia S. de Santiago-Aguiar ◽  
Hosiberto B. de Sant’Ana
Keyword(s):  
Ionic Liquid ◽  
Group Contribution ◽  
Liquid Density ◽  
Group Contribution Method ◽  
Wide Range ◽  
Temperature And Pressure

scholarly journals Interfacial properties of the ionic liquid [bmim][triflate] over a wide range of temperatures

RSC Advances ◽  
2018 ◽  
Vol 8 (18) ◽  
pp. 10115-10123 ◽  
Author(s):  
José L. Rivera ◽  
Luis Molina-Rodríguez ◽  
Mariana Ramos-Estrada ◽  
Pedro Navarro-Santos ◽  
Enrique Lima
Keyword(s):  
Surface Tension ◽  
Ionic Liquid ◽  
Wide Temperature Range ◽  
Interfacial Properties ◽  
Liquid Density ◽  
Tension Zone ◽  
Temperature Range ◽  
Linear Behavior ◽  
Vacuum Interface ◽  
Wide Range

Picture of the ionic liquid [bmim][triflate] at the vapor/vacuum interface. The liquid density and surface tension show linear behavior in a wide temperature range. The outer interfacial space shows a zero-surface tension zone.

Development of a group contribution method for estimating surface tension of ionic liquids over a wide range of temperatures

2017 ◽  
Vol 240 ◽  
pp. 522-531 ◽  
Author(s):  
Juan A. Lazzús ◽  
Geraldo Pulgar-Villarroel ◽  
Fernando Cuturrufo ◽  
Pedro Vega
Keyword(s):  
Surface Tension ◽  
Ionic Liquids ◽  
Group Contribution ◽  
Group Contribution Method ◽  
Wide Range

scholarly journals Development of a novel mathematical model using a group contribution method for prediction of ionic liquid toxicities

Chemosphere ◽  
2011 ◽  
Vol 85 (6) ◽  
pp. 990-994 ◽  
Author(s):  
M. Ismail Hossain ◽  
Brahim Belhaouari Samir ◽  
Mohanad El-Harbawi ◽  
Asiah Nusaibah Masri ◽  
M.I. Abdul Mutalib ◽  
...  
Keyword(s):  
Mathematical Model ◽  
Ionic Liquid ◽  
Group Contribution ◽  
Group Contribution Method

General Trend of Negative Transference Number in Li Salt/Ionic Liquid Mixtures

2019 ◽  
Author(s):  
Nicola Molinari ◽  
Jonathan P. Mailoa ◽  
Boris Kozinsky
Keyword(s):  
Ionic Liquid ◽  
Transference Number ◽  
Liquid Mixtures ◽  
Single Linkage ◽  
Self Diffusion ◽  
Wide Range ◽  
Single Linkage Cluster ◽  
Concentrated Solution ◽  
The One ◽  
Dynamics Simulations

We show that strong cation-anion interactions in a wide range of lithium-salt/ionic liquid mixtures result in a negative lithium transference number, using molecular dynamics simulations and rigorous concentrated solution theory. This behavior fundamentally deviates from the one obtained using self-diffusion coefficient analysis and agrees well with experimental electrophoretic NMR measurements, which accounts for ion correlations. We extend these findings to several ionic liquid compositions. We investigate the degree of spatial ionic coordination employing single-linkage cluster analysis, unveiling asymmetrical anion-cation clusters. Additionally, we formulate a way to compute the effective lithium charge that corresponds to and agrees well with electrophoretic measurements and show that lithium effectively carries a negative charge in a remarkably wide range of chemistries and concentrations. The generality of our observation has significant implications for the energy storage community, emphasizing the need to reconsider the potential of these systems as next generation battery electrolytes.<br>

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